REMARK VINA RESULT:      -3.2      0.977      1.668
REMARK  2 active torsions:
REMARK  status: ('A' for Active; 'I' for Inactive)
REMARK    1  A    between atoms: N_2  and  N_4 
REMARK       I    between atoms: N_2  and  C_8 
REMARK    2  A    between atoms: C_5  and  C_8 
ROOT
ATOM      1  O   UNL d   1      36.847 -39.614 -43.677  0.00  0.00    -0.266 OA
ATOM      2  N   UNL d   1      38.989 -38.791 -43.429  0.00  0.00    -0.290 N 
ATOM      3  C   UNL d   1      37.731 -38.831 -44.015  0.00  0.00     0.265 C 
ATOM      4  H   UNL d   1      39.758 -38.326 -43.908  0.00  0.00     0.183 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   UNL d   1      37.496 -37.856 -45.113  0.00  0.00     0.036 A 
ATOM      6  C   UNL d   1      36.203 -37.556 -45.542  0.00  0.00     0.036 A 
ATOM      7  C   UNL d   1      36.061 -36.662 -46.585  0.00  0.00     0.117 A 
ATOM      8  N   UNL d   1      37.100 -36.064 -47.205  0.00  0.00    -0.273 NA
ATOM      9  C   UNL d   1      38.342 -36.387 -46.776  0.00  0.00     0.117 A 
ATOM     10  C   UNL d   1      38.592 -37.273 -45.746  0.00  0.00     0.036 A 
ENDBRANCH   3   5
BRANCH   2  11
ATOM     11  N   UNL d   1      39.300 -39.704 -42.400  0.00  0.00    -0.247 NA
ATOM     12  H   UNL d   1      40.318 -39.807 -42.369  0.00  0.00     0.143 HD
ATOM     13  H   UNL d   1      39.071 -39.238 -41.509  0.00  0.00     0.143 HD
ENDBRANCH   2  11
TORSDOF 2